An investigation of soft-core potentials for the simulation of mesogenic molecules and molecules composed of rigid and flexible segments

DOI10.1016/J.CPC.2008.01.047zbMath1196.82012OpenAlexW2008510087MaRDI QIDQ710248

Zak E. Hughes, Jaroslav M. Ilnytskyi, Lorna M. Stimson, Juho S. Lintuvuori, Mark R. Wilson, Henk Slim

Publication date: 18 October 2010

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.cpc.2008.01.047

zbMATH Keywords

Monte Carlophase transitionphase diagrammolecular dynamicsliquid crystalsspherocylindersoft-core potential

Mathematics Subject Classification ID

Statistical mechanics of random media, disordered materials (including liquid crystals and spin glasses) (82D30) Software, source code, etc. for problems pertaining to statistical mechanics (82-04)

Cites Work

• Liquid–crystalline ordering in rod—coil diblock copolymers studied by mesoscale simulations

This page was built for publication: An investigation of soft-core potentials for the simulation of mesogenic molecules and molecules composed of rigid and flexible segments